Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMDYTEKQVLQGKAVLFLGAGASYNCTDREKKRIGFTGNELLQKINEEFLGNTPNHLTLDFASTMAIQKAGRENFDLFIKELVCDFDPTNEHKLLSEFKWKAIFTTNYDEAIEKAYRENKSALQKIEKIISDNDSLQKVVVNPDKLPIIKIHGCISRPNDTRTPLVISC-SDYRRHQENRSSLYQYLKECLTSDLVIFYGYGLGDNNIVGILDDLEKEGVNRTRHIWLDPFMDEMYKDYWESKNLLCKVNNLYDFLSEIKSKKDSNILSLNSFLKNDSVISKLIPSNDRPSNELETYLLKQLLYVEMNDEIKRESDNYNNDIFYRGNAHGFSWVAKNLDFQRAIERTLEVELFENFEISNQLFNFLIINGYAGSGKSVLLKRLAWNGVSKFNGNCFYLSEGATLNTKLIFELIKLIKEPIILFVDNILEHQTEILEIKNFSIKDCSKIMIVGAARSNEWNNSENILDKLNPNFFSLKDLNDFEVKNLVNKLKEFKAEGSLKELSDIDKYKFIKEKSNNQLLVTLLEATHYGQEFSEIIKDEYEGIYDRSAKDLYLSICCFHRHGLELRAGMIKRLSGINFEQFKEKFLQPLELLVTSYYSYRVNDIVYTTRHSYIAQHVFKQAFLSEMDKAQQLIKIIRYLNIGFDTDSKALDFILKGRILAEEFNDKDLAHSIFNIAQ-----DIGVNNAFILHQRAIFEINHQNPNYELALDYLKRINSSDGYYDMRTVEHTKAN-AYRKIALNSSSKQDKIKYR--NLSLKLLNDNIRTSNRTSMPYHTKGLVLLDEIKDCDNENDLVDIIKDFENNLSAGFKKFPYDESLTVLEHDFSDEIDNSPRAIEKIKEALRKNSDNIYIVQRYAKFYIKKNDFLEARTCMLNFLRNDVNNRAINYLMAYSYIKENESLYFQNAIKYLKKCYSPRDSNYEPKFLHACLEYIYQSEEKALKIFTDLNQSNVSPKIKN--KPTHMIRDSEGNERFFDAIIVTINDQFGFVKTSKYAENIYVHKSTISNEEDWEALRPGDPLKISIWFSFRGPRAKTAIIL 3WOL Chain:A ((1-696)) ------------------GEGM----------WVPQQLPEIAGPLKKAGLKLSPQQISDLTGDPMGAVVALGGCTASFVSP-------------------NGLVVTNHHCAYGAIQLNSTAENNLIKNGFNAPTTADEVSAGPNA-RVFVLDEITDVTKDAKAAIAAAGDDALARTKALEAFEKKLIADCEAEAGFRCRLYSFSGGNTYRLFKNLE---IKDVRLAYAPP-------------------GSVGKFGGDIDN------WMWPRHTGDFAFYRAYVGKDGKPAA-------------------------FSKDNVPYQPKHWLKFADQPLGAG----------------------DFVMVAGYPGSTNRYAL-AAEFDNTAQW-------------------------------TYPTIARHYKNQIAMVEAAGKQNADIQVKYAATMAGWNNTSKNYDGQLEGFKRI-DAAGQKLREEAAVLGWLKGQG----------AKGQPALDAHAKLLDLLEQSKATRDRDLTLALFNNTAMLGSATQLY-------RLSIEREKPNAERESG-----YQERDLPAIEGGLKQLERR----------------------YVAAMDRQLQEYWLNEYIKLPADQRVAAVDAWLGG-------NDAAAVKRALDRLAGTKLGSTEERLKWFAADRKAFEASN-DPAIQYAVAVMPTLLKLEQERKTRAGENLAARPVYLQALADYKKSQGEFVYPDANLSLRITFGNV-------MGYAPKD-----------------------------GMEYTPFTTLEGVVAKETGQDPFDSPKALLDAVAAKRYGG-------------------LEDKR---------IGSVPVNYLSDLDITGGNSGS------------------------------PVLDAHGKLVGLAFDGNWESVSSNWVFDPKMTRMIAVD---GRYLRWIMQEV---------------------------------------------YPAPQLLKEMNV

General information: TITO was launched using: RESULT: Template: 3WOL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3792 61247 16.15 89.41 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 16.15 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.217

(partial model without unconserved sides chains): PDB file : Tito_3WOL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WOL-query.scw PDB file : Tito_Scwrl_3WOL.pdb: